SCHEMBL29644352

SCHEMBL29644352

O=C(O)c1cn(C2CC2)c2nc(OCC(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
DPP4 P27487 6/20 0.37
SCN9A Q15858 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CHRM2 P08172 1/20 0.36
DRD1 P21728 1/20 0.36
HTR3A P46098 1/20 0.35
HPGDS O60760 1/20 0.35
KLKB1 P03952 1/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
ACACB O00763 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CNR2 P34972 1/20 0.34
PIK3CG P48736 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ABCC4 O15439 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26980100 1.00 L3MBTL1 (0.42) L3MBTL1DPP4SCN9AFFAR4CHRM2
SCHEMBL26980326 0.88 HTR3A (0.39) L3MBTL1HTR3AHPGDSKLKB1ACACB
SCHEMBL29644360 0.81 L3MBTL1 (0.46) L3MBTL1SCN9AFFAR4HTR3AHPGDS
SCHEMBL26979996 0.81 L3MBTL1 (0.46) L3MBTL1SCN9AFFAR4HTR3AHPGDS
SCHEMBL26979544 0.70 MTNR1A (0.43) L3MBTL1SCN9AHTR3AACACBMTNR1A
SCHEMBL10151563 0.70 LIPC (0.47) L3MBTL1SCN9AFFAR4HPGDSKDM4E
SCHEMBL2718820 0.69 L3MBTL1 (0.55) L3MBTL1SCN9AFFAR4HPGDSCNR2
SCHEMBL15350385 0.69 FFAR4 (0.43) L3MBTL1SCN9AFFAR4HPGDSCNR2
SCHEMBL2713685 0.68 L3MBTL1 (0.54) L3MBTL1HPGDSKDM4E
SCHEMBL2715161 0.68 L3MBTL1 (0.54) L3MBTL1SCN9AHPGDSLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247790-A1 STING ANTAGONISTS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2023-09-27 EP disclosed
WO-2022105930-A1 STING ANTAGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2022-05-27 WO disclosed